2-(4-pentylsulfanylphenyl)-1H-imidazo[4,5-d]pyridazine

Systemtic Name: 2-(4-pentylsulfanylphenyl)-1H-imidazo[4,5-d]pyridazine Openeye Name: 2-(4-pentylsulfanylphenyl)-1H-imidazo[4,5-d]pyridazine CAS Name: 2-[4-(pentylthio)phenyl]-1H-imidazo[4,5-d]pyridazine IUPAC Name: 2-(4-pentylsulfanylphenyl)-1H-imidazo[4,5-d]pyridazine Traditional Name: 2-[4-(amylthio)phenyl]-1H-imidazo[4,5-d]pyridazine Formula: C16H18N4S MolecularWeight: 298.40592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC=C(C=C1)C2=NC3=CN=NC=C3N2

Isomeric SMILES

CCCCCSC1=CC=C(C=C1)C2=NC3=CN=NC=C3N2

InChI

InChI=1S/C16H18N4S/c1-2-3-4-9-21-13-7-5-12(6-8-13)16-19-14-10-17-18-11-15(14)20-16/h5-8,10-11H,2-4,9H2,1H3,(H,19,20)